4-methylsulfanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid Traditional Name: 2-(mesitylsulfonylamino)-4-(methylthio)butyric acid Formula: C14H21NO4S2 MolecularWeight: 331.45084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C14H21NO4S2/c1-9-7-10(2)13(11(3)8-9)21(18,19)15-12(14(16)17)5-6-20-4/h7-8,12,15H,5-6H2,1-4H3,(H,16,17)